2-氨基乙基-三甲基铵 | 38170-37-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 2-氨基乙基-三甲基铵
• 英文名称: 2-amino-N,N,N-trimethylethanaminium
• 英文别名: cholamine；2-amino-N,N,N-trimethylethan-1-aminium；Aminocholine；2-aminoethyl(trimethyl)azanium
• CAS: 38170-37-5
• 化学式: C₅H₁₅N₂
• 分子量: 103.188
• InChiKey: QMRGNVUDLXOZPG-UHFFFAOYSA-N

物化性质

• 沸点：
  75-78 °C(Press: 15 Torr)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  7
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2923900090

反应信息

• 作为反应物：
  描述：

  2-氨基乙基-三甲基铵 在 N,N-二异丙基乙胺 作用下， 以 乙醇 为溶剂， 反应 16.0h， 生成 2-((2-((2,3-bis(((E)-octadec-9-enoyl)oxy)propyl)amino)-3,4-dioxocyclobut-1-en-1-yl)amino)-N,N,N-trimethylethan-1-aminium
  参考文献：
  名称：

  Phosphate bioisostere containing amphiphiles: a novel class of squaramide-based lipids

  摘要：

  我们描述了一类新颖的含有方酰胺基团的两性分子，作为磷酸生物同构体。

  DOI：

  10.1039/c6cc04089f
• 作为产物：
  描述：

  2-((tert-butoxycarbonyl)amino)-N,N,N-trimethylethan-1-aminium 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 3.5h， 生成 2-氨基乙基-三甲基铵
  参考文献：
  名称：

  Phosphate bioisostere containing amphiphiles: a novel class of squaramide-based lipids

  摘要：

  我们描述了一类新颖的含有方酰胺基团的两性分子，作为磷酸生物同构体。

  DOI：

  10.1039/c6cc04089f
• 作为试剂：
  描述：

  carbonic acid ethyl ester 4-(2-hydroxy-ethyl)-phenyl ester 在 dinitrogen tetroxide 、 2-氨基乙基-三甲基铵 、 乙酸酐 作用下， 以 乙醇 、 二氯甲烷 、 水 为溶剂， 反应 10.0h， 生成 4-[(2-nitroxy)ethyl]phenol
  参考文献：
  名称：

  Design, synthesis, nitric oxide release and antibacterial evaluation of novel nitrated ocotillol-type derivatives

  摘要：

  Nitric oxide (NO) and its auto-oxidation products are known to disrupt normal bacterial function and NO releasing molecules have the potential to be developed as antibacterial leads in drug discovery. We have designed and synthesized a series of novel nitrated compounds by combining NO releasing groups with ocotillol-type triterpenoids, which have previously demonstrated activity only against Gram-positive bacteria. The in vitro NO release capacity and antibacterial activity were sequentially evaluated and the data showed that most of the synthesized compounds could release nitric oxide. Compound 16a, 17a and 17c, with nitrated aliphatic esters at C-3 position, displayed higher NO release than other analogues, correlating to their good antibacterial activity, in which 17c demonstrated broad-spectrum activity against both Gram positive and -negative bacteria, as well as excellent synergism at sub-minimum inhibitory concentration when using with kanamycin and chloramphenicol. Furthermore, the epifluorescent microscopic study indicated that the ocotillol-type triterpenoid core may induce NO release on the bacterial membrane. Our results demonstrate that nitrated substitutions at C-3 of ocotillol-type derivatives could provide an approach to expand their antibacterial spectrum, and that ocotillol-type triterpenoids may also be developed as appropriate carriers for NO donors in antibacterial agent discovery with low cytotoxicity. (C) 2015 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2015.06.021

文献信息

• [EN] TGR5 AGONISTS<br/>[FR] AGONISTES DE TGR5
  申请人：EXELIXIS INC

  公开号：WO2011071565A1

  公开（公告）日：2011-06-16

  TGR5 agonists of structural formula VIII(Q), wherein X, R1, R2, and R5 are defined in the specification, pharmaceutically acceptable salts thereof, compositions thereof, and use of the compounds and compositions for treating diseases. The invention also comprises use of the compounds in and for the manufacture of medicaments, particularly for treating diseases.

  TGR5激动剂的结构式VIII(Q)，其中X、R1、R2和R5在规范中定义，其药用盐、组合物以及用于治疗疾病的化合物和组合物的使用。该发明还包括在制药品中使用这些化合物以及用于制造药物，特别是用于治疗疾病。
• Catechols as antimicrobial agents
  申请人：Merck & Co., Inc.

  公开号：US06348482B1

  公开（公告）日：2002-02-19

  Compounds, pharmaceutically acceptable salts, and compositions thereof of the general formula: wherein Ar is aryl and heteroaryl; R1, R2, R3, and R4 are hydrido, alkyl, cyano, heteroaryl, hydroxy, amino, acylamino, halo, alkoxy, aryloxy, carboxyamido, alkenyl, cycloalkyl, heterocyclyl, acyl, acyloxy, carboalkoxy, carboxy, thio, sulfinyl, sulfonyl and sulfoxy, R5, R6, R7, and R8 are hydrido and lower alkyl; and Het is a nitrogen-containing heterocyclic ring.

  通用公式的化合物、药用可接受盐及其组合物，其中Ar为芳基和杂环芳基；R1、R2、R3和R4为氢、烷基、氰基、杂环芳基、羟基、氨基、酰胺基、卤素、烷氧基、芳氧基、羧酰胺基、烯基、环烷基、杂环烷基、酰基、酰氧基、羧酰烷氧基、羧基、硫、亚砜基、磺酰基和亚砜氧基，R5、R6、R7和R8为氢和低烷基；Het为含氮杂环环。
• WATER-SOLUBLE TRIAZAPYRIDINOPHANE-BASED COMPLEXING AGENTS AND CORRESPONDING FLUORESCENT LANTHANIDE COMPLEXES
  申请人：CISBIO BIOASSAYS

  公开号：US20180362549A1

  公开（公告）日：2018-12-20

  The invention relates to complexing agents of formula (I) in which A 1 , A 2 , A 3 and R 1 are as defined in the description. The invention also relates to lanthanide complexes obtained from said complexing agents. The invention can be used for marking biological molecules.

  该发明涉及公式（I）中的络合剂，其中A1、A2、A3和R1如描述中所定义。该发明还涉及从所述络合剂获得的镧系金属络合物。该发明可用于标记生物分子。
• Identification of potent, nonabsorbable agonists of the calcium-sensing receptor for GI-specific administration
  作者：Steven M. Sparks、Paul K. Spearing、Caroline J. Diaz、David J. Cowan、Channa Jayawickreme、Grace Chen、Thomas J. Rimele、Claudia Generaux、Lindsey T. Harston、Shane G. Roller

  DOI：10.1016/j.bmcl.2017.09.008

  日期：2017.10

  of gastrointestinal nutrient sensing pathways provides a promising a new approach for the treatment of metabolic diseases including diabetes and obesity. The calcium-sensing receptor has been identified as a key receptor involved in mineral and amino acid nutrient sensing and thus is an attractive target for modulation in the intestine. Herein we describe the optimization of gastrointestinally restricted

  胃肠道营养物传感途径的调节为治疗包括糖尿病和肥胖症在内的代谢性疾病提供了一种有希望的新方法。钙敏感受体已被确定为涉及矿物质和氨基酸营养素敏感的关键受体，因此是肠内调节的诱人靶标。在本文中，我们描述了从包含3-氨基吡咯烷的模板开始的胃肠道限制钙敏感受体激动剂的优化，从而确定了GI限制激动剂19（GSK3004774）。
• [EN] AMMONIUM DERIVATIVES FOR THE TREATMENT OF HEPATITIS C<br/>[FR] DÉRIVÉS D'AMMONIUM POUR LE TRAITEMENT DE L'HÉPATITE C
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2014116766A1

  公开（公告）日：2014-07-31

  Compounds of Formula I, including pharmaceutically acceptable salts thereof, are set forth, in addition to compositions and methods of using these compounds. The compounds have activity against hepatitis C virus (HCV) and may be useful in treating those infected with HCV.

  公式I的化合物，包括其药用可接受的盐，已列出，除此之外还包括使用这些化合物的组合物和方法。这些化合物具有抗丙型肝炎病毒（HCV）的活性，可能对感染HCV的患者有用。